1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone

C19H17N5O4 — CID 18153257

IUPAC1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone
SMILESCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])c2nc3ccccc3nc21
InChIInChI=1S/C19H17N5O4/c1-22-10-11-23(19-18(22)20-13-6-2-3-7-14(13)21-19)17(25)12-28-16-9-5-4-8-15(16)24(26)27/h2-9H,10-12H2,1H3
InChIKeyMPHSLFJMIOYPTN-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.40
Rot. Bonds4

About 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone

1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone (PubChem CID 18153257) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone
PubChem CID18153257
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone
SMILESCN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])c2nc3ccccc3nc21
InChIInChI=1S/C19H17N5O4/c1-22-10-11-23(19-18(22)20-13-6-2-3-7-14(13)21-19)17(25)12-28-16-9-5-4-8-15(16)24(26)27/h2-9H,10-12H2,1H3
InChIKeyMPHSLFJMIOYPTN-UHFFFAOYSA-N
XLogP2.40
TPSA101.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623372
1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-(2-methylphenoxy)ethanone
CID 9192957
2-(4-ethylphenoxy)-1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)ethanone
CID 16623384
2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741428
1-[4-(methylamino)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119561422
1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-(2-nitrophenoxy)ethanone
CID 56799765
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 3755477
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one
CID 16623361
1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 108729565
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone (CID 18153257) is 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone is CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])c2nc3ccccc3nc21.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone?
The InChIKey is MPHSLFJMIOYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-22-10-11-23(19-18(22)20-13-6-2-3-7-14(13)21-19)17(25)12-28-16-9-5-4-8-15(16)24(26)27/h2-9H,10-12H2,1H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone?
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone has a molecular weight of 379.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-(2-nitrophenoxy)ethanone is sourced from PubChem (CID 18153257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).